4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine

C11H18N4 — CID 79210419

IUPAC4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine
SMILESCC(C)Cn1cnnc1C1C=CC(N)C1
InChIInChI=1S/C11H18N4/c1-8(2)6-15-7-13-14-11(15)9-3-4-10(12)5-9/h3-4,7-10H,5-6,12H2,1-2H3
InChIKeyLKESADJEGADWTP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.30
Rot. Bonds3

About 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine

4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine (PubChem CID 79210419) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine
PubChem CID79210419
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine
SMILESCC(C)Cn1cnnc1C1C=CC(N)C1
InChIInChI=1S/C11H18N4/c1-8(2)6-15-7-13-14-11(15)9-3-4-10(12)5-9/h3-4,7-10H,5-6,12H2,1-2H3
InChIKeyLKESADJEGADWTP-UHFFFAOYSA-N
XLogP1.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine (CID 79210419) is 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine is CC(C)Cn1cnnc1C1C=CC(N)C1.
What is the InChIKey of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine?
The InChIKey is LKESADJEGADWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8(2)6-15-7-13-14-11(15)9-3-4-10(12)5-9/h3-4,7-10H,5-6,12H2,1-2H3.
What are the key properties of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine?
4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine has a molecular weight of 206.29 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79210419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).